In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 34 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 6.01 | 12.06 | -16.76 | 2 | 6 | 0 | 85 | 469.622 | 12 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 13 | 0.32 | Binding ≤ 10μM |
TRPV1-2-E | Vanilloid Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 4 | 0.35 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 13.1 | 0.32 | Binding ≤ 1μM |
TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 13.1 | 0.32 | Binding ≤ 10μM |
TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 4.08 | 0.35 | Functional ≤ 10μM |
Description | Species |
---|---|
TRP channels |
No pre-computed analogs available. Try a structural similarity search.